NPASS Natural Product

Natural Product: NPC270515

Natural Product ID:	NPC270515
Common Name:	Daurioxoisoporphine B
IUPAC Name:
Synonyms:
Molecular Formula:	C19H16N2O4
Standard InCHIKey:	IKUGYVORDGAYDA-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H16N2O4/c1-23-9-4-5-10-12(8-9)17(22)14-13-11(6-7-21-16(10)13)18(24-2)19(25-3)15(14)20/h4-8H,20H2,1-3H3
Canonical SMILES:	COc1ccc2c(c1)C(=O)c1c3c2nccc3c(c(c1N)OC)OC
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO20526	Menispermum dauricum	Species	Menispermaceae	Eukaryota				PMID[11473438]
NPO20526	Menispermum dauricum	Species	Menispermaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
IC50	10

Activity Type	# Activity
Cell Line	7
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT81	Cell Line	A549	Homo sapiens	IC50	>	50000	nM	11473438
NPT116	Cell Line	HL-60	Homo sapiens	IC50	>	50000	nM	11473438
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	6200	nM	11473438
NPT168	Cell Line	P388	Mus musculus	IC50	=	9600	nM	11473438
NPT196	Cell Line	AGS	Homo sapiens	IC50	>	3000	nM	20961068
NPT2	Others	Unspecified		IC50	>	3000	nM	20961068
NPT1506	Cell Line	SK-MES-1	Homo sapiens	IC50	>	3000	nM	20961068
NPT1505	Cell Line	J82	Homo sapiens	IC50	>	3000	nM	20961068

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC270515 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	470
0.1-0.2	2437
0.2-0.3	9065
0.3-0.4	3778
0.4-0.5	10131
0.5-0.6	3517
0.6-0.7	1179
0.7-0.8	276
0.8-0.85	24
0.85-0.9	8
0.9-0.95	4
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9478	High Similarity	NPC132385
0.922	High Similarity	NPC74575
0.914	High Similarity	NPC49547
0.9	High Similarity	NPC470018
0.8826	High Similarity	NPC208522
0.8811	High Similarity	NPC470022
0.8795	High Similarity	NPC24019
0.8778	High Similarity	NPC210434
0.8603	High Similarity	NPC470017
0.8596	High Similarity	NPC22481
0.8559	High Similarity	NPC90875
0.8532	High Similarity	NPC470020
0.8485	Intermediate Similarity	NPC182907
0.8485	Intermediate Similarity	NPC189903
0.8472	Intermediate Similarity	NPC233334
0.8465	Intermediate Similarity	NPC278525
0.8462	Intermediate Similarity	NPC146976
0.8442	Intermediate Similarity	NPC108342
0.8416	Intermediate Similarity	NPC236668
0.8305	Intermediate Similarity	NPC15406
0.8291	Intermediate Similarity	NPC166722
0.827	Intermediate Similarity	NPC124313
0.8263	Intermediate Similarity	NPC84164
0.8263	Intermediate Similarity	NPC207283
0.8246	Intermediate Similarity	NPC322482
0.8228	Intermediate Similarity	NPC142385
0.822	Intermediate Similarity	NPC210296
0.8174	Intermediate Similarity	NPC137353
0.8109	Intermediate Similarity	NPC72905
0.8103	Intermediate Similarity	NPC246381
0.8101	Intermediate Similarity	NPC41501
0.8099	Intermediate Similarity	NPC183537
0.8025	Intermediate Similarity	NPC77878
0.8017	Intermediate Similarity	NPC472061
0.8009	Intermediate Similarity	NPC162530
0.8008	Intermediate Similarity	NPC253675
0.7974	Intermediate Similarity	NPC235076
0.7973	Intermediate Similarity	NPC16452
0.7973	Intermediate Similarity	NPC36229
0.7973	Intermediate Similarity	NPC476581
0.7965	Intermediate Similarity	NPC216612
0.7948	Intermediate Similarity	NPC23614
0.7948	Intermediate Similarity	NPC100079
0.7917	Intermediate Similarity	NPC119134
0.789	Intermediate Similarity	NPC329631
0.7885	Intermediate Similarity	NPC251160
0.7838	Intermediate Similarity	NPC31930
0.7835	Intermediate Similarity	NPC46451
0.7805	Intermediate Similarity	NPC473188
0.7798	Intermediate Similarity	NPC195268
0.7798	Intermediate Similarity	NPC133140
0.7797	Intermediate Similarity	NPC188420
0.7773	Intermediate Similarity	NPC271215
0.7773	Intermediate Similarity	NPC149471
0.7764	Intermediate Similarity	NPC134637
0.7759	Intermediate Similarity	NPC101350
0.7749	Intermediate Similarity	NPC473513
0.7748	Intermediate Similarity	NPC4071
0.7748	Intermediate Similarity	NPC476578
0.7748	Intermediate Similarity	NPC476582
0.7741	Intermediate Similarity	NPC172222
0.7735	Intermediate Similarity	NPC118121
0.7731	Intermediate Similarity	NPC474688
0.7729	Intermediate Similarity	NPC53069
0.7729	Intermediate Similarity	NPC202605
0.7729	Intermediate Similarity	NPC296482
0.7729	Intermediate Similarity	NPC112206
0.7729	Intermediate Similarity	NPC202768
0.7718	Intermediate Similarity	NPC235685
0.7702	Intermediate Similarity	NPC122436
0.7695	Intermediate Similarity	NPC148889
0.7695	Intermediate Similarity	NPC475844
0.766	Intermediate Similarity	NPC122463
0.766	Intermediate Similarity	NPC144452
0.765	Intermediate Similarity	NPC225279
0.7639	Intermediate Similarity	NPC173080
0.7637	Intermediate Similarity	NPC200888
0.7607	Intermediate Similarity	NPC208084
0.7589	Intermediate Similarity	NPC89549
0.7588	Intermediate Similarity	NPC308943
0.7588	Intermediate Similarity	NPC222561
0.7583	Intermediate Similarity	NPC260434
0.7576	Intermediate Similarity	NPC171409
0.7576	Intermediate Similarity	NPC96405
0.7573	Intermediate Similarity	NPC274640
0.757	Intermediate Similarity	NPC303374
0.7564	Intermediate Similarity	NPC204446
0.7562	Intermediate Similarity	NPC39370
0.7556	Intermediate Similarity	NPC234197
0.754	Intermediate Similarity	NPC53534
0.7539	Intermediate Similarity	NPC315634
0.7539	Intermediate Similarity	NPC88923
0.7539	Intermediate Similarity	NPC100734
0.7532	Intermediate Similarity	NPC208284
0.7532	Intermediate Similarity	NPC17565
0.7521	Intermediate Similarity	NPC473182
0.7511	Intermediate Similarity	NPC313189
0.75	Intermediate Similarity	NPC473183
0.7489	Intermediate Similarity	NPC290689
0.7479	Intermediate Similarity	NPC94842
0.7479	Intermediate Similarity	NPC473186
0.747	Intermediate Similarity	NPC478083
0.7459	Intermediate Similarity	NPC473187
0.744	Intermediate Similarity	NPC91868
0.744	Intermediate Similarity	NPC63971
0.7435	Intermediate Similarity	NPC193238
0.7432	Intermediate Similarity	NPC152620
0.7431	Intermediate Similarity	NPC478045
0.743	Intermediate Similarity	NPC107123
0.7418	Intermediate Similarity	NPC473184
0.7415	Intermediate Similarity	NPC46561
0.7406	Intermediate Similarity	NPC65277
0.7401	Intermediate Similarity	NPC477019
0.7395	Intermediate Similarity	NPC280799
0.7386	Intermediate Similarity	NPC478078
0.7383	Intermediate Similarity	NPC191489
0.7382	Intermediate Similarity	NPC220337
0.7375	Intermediate Similarity	NPC179287
0.7373	Intermediate Similarity	NPC169402
0.7366	Intermediate Similarity	NPC477112
0.7362	Intermediate Similarity	NPC298449
0.7362	Intermediate Similarity	NPC55470
0.7359	Intermediate Similarity	NPC4687
0.7359	Intermediate Similarity	NPC249583
0.7359	Intermediate Similarity	NPC135549
0.7358	Intermediate Similarity	NPC6786
0.7355	Intermediate Similarity	NPC471762
0.7355	Intermediate Similarity	NPC66777
0.7353	Intermediate Similarity	NPC174049
0.735	Intermediate Similarity	NPC308137
0.735	Intermediate Similarity	NPC310211
0.7348	Intermediate Similarity	NPC285558
0.7344	Intermediate Similarity	NPC284685
0.7344	Intermediate Similarity	NPC285254
0.7322	Intermediate Similarity	NPC198503
0.7319	Intermediate Similarity	NPC232225
0.7319	Intermediate Similarity	NPC39500
0.7319	Intermediate Similarity	NPC324361
0.7315	Intermediate Similarity	NPC185197
0.7314	Intermediate Similarity	NPC473185
0.7314	Intermediate Similarity	NPC257851
0.7308	Intermediate Similarity	NPC227824
0.7308	Intermediate Similarity	NPC187501
0.7308	Intermediate Similarity	NPC470042
0.7295	Intermediate Similarity	NPC474701
0.7288	Intermediate Similarity	NPC116238
0.728	Intermediate Similarity	NPC150239
0.7277	Intermediate Similarity	NPC474428
0.7269	Intermediate Similarity	NPC473822
0.7261	Intermediate Similarity	NPC51388
0.7256	Intermediate Similarity	NPC279589
0.725	Intermediate Similarity	NPC60621
0.7246	Intermediate Similarity	NPC266931
0.7246	Intermediate Similarity	NPC268223
0.7237	Intermediate Similarity	NPC17677
0.7237	Intermediate Similarity	NPC193906
0.7237	Intermediate Similarity	NPC23080
0.7234	Intermediate Similarity	NPC87413
0.7228	Intermediate Similarity	NPC45048
0.7224	Intermediate Similarity	NPC201508
0.7224	Intermediate Similarity	NPC475253
0.7222	Intermediate Similarity	NPC174758
0.7222	Intermediate Similarity	NPC174672
0.7222	Intermediate Similarity	NPC201697
0.722	Intermediate Similarity	NPC282346
0.721	Intermediate Similarity	NPC193777
0.7208	Intermediate Similarity	NPC174760
0.7205	Intermediate Similarity	NPC203373
0.7203	Intermediate Similarity	NPC264176
0.7203	Intermediate Similarity	NPC316981
0.7203	Intermediate Similarity	NPC473180
0.7197	Intermediate Similarity	NPC247803
0.7197	Intermediate Similarity	NPC184408
0.7197	Intermediate Similarity	NPC473041
0.7191	Intermediate Similarity	NPC471304
0.7191	Intermediate Similarity	NPC309845
0.7191	Intermediate Similarity	NPC199667
0.7188	Intermediate Similarity	NPC244543
0.7185	Intermediate Similarity	NPC170114
0.7179	Intermediate Similarity	NPC207873
0.7179	Intermediate Similarity	NPC18348
0.7179	Intermediate Similarity	NPC100573
0.7178	Intermediate Similarity	NPC7560
0.7176	Intermediate Similarity	NPC302807
0.7174	Intermediate Similarity	NPC315957
0.7172	Intermediate Similarity	NPC157931
0.7167	Intermediate Similarity	NPC45190
0.7167	Intermediate Similarity	NPC304183
0.7167	Intermediate Similarity	NPC473179
0.7167	Intermediate Similarity	NPC74360
0.7167	Intermediate Similarity	NPC300156
0.7166	Intermediate Similarity	NPC255800
0.7166	Intermediate Similarity	NPC96584
0.7156	Intermediate Similarity	NPC312872
0.7149	Intermediate Similarity	NPC473181
0.7143	Intermediate Similarity	NPC237740
0.7143	Intermediate Similarity	NPC470549
0.7143	Intermediate Similarity	NPC267423
0.7137	Intermediate Similarity	NPC34770
0.7137	Intermediate Similarity	NPC276657

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC270515 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	293
0.1-0.2	724
0.2-0.3	1092
0.3-0.4	1456
0.4-0.5	2583
0.5-0.6	2069
0.6-0.7	840
0.7-0.8	100
0.8-0.85	3
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8536	High Similarity	NPD8091	Phase 3
0.8067	Intermediate Similarity	NPD6790	Phase 1
0.8033	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.8026	Intermediate Similarity	NPD4429	Discontinued
0.789	Intermediate Similarity	NPD6741	Clinical (unspecified phase)
0.789	Intermediate Similarity	NPD6494	Phase 2
0.7839	Intermediate Similarity	NPD5022	Discontinued
0.7835	Intermediate Similarity	NPD3763	Approved
0.7798	Intermediate Similarity	NPD3921	Approved
0.7798	Intermediate Similarity	NPD3924	Approved
0.7798	Intermediate Similarity	NPD3922	Approved
0.7798	Intermediate Similarity	NPD3923	Approved
0.7729	Intermediate Similarity	NPD3816	Phase 1
0.7729	Intermediate Similarity	NPD3815	Phase 1
0.7714	Intermediate Similarity	NPD5488	Discontinued
0.7692	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7689	Intermediate Similarity	NPD4952	Phase 3
0.7689	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7635	Intermediate Similarity	NPD6963	Approved
0.7635	Intermediate Similarity	NPD6964	Approved
0.7593	Intermediate Similarity	NPD4373	Phase 2
0.7592	Intermediate Similarity	NPD6716	Phase 1
0.7576	Intermediate Similarity	NPD7069	Discontinued
0.7574	Intermediate Similarity	NPD6242	Discontinued
0.7539	Intermediate Similarity	NPD7803	Approved
0.7531	Intermediate Similarity	NPD3006	Discontinued
0.753	Intermediate Similarity	NPD6230	Discontinued
0.7511	Intermediate Similarity	NPD2285	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7858	Clinical (unspecified phase)
0.7489	Intermediate Similarity	NPD7395	Discontinued
0.7451	Intermediate Similarity	NPD6228	Discontinued
0.7436	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7417	Intermediate Similarity	NPD7426	Phase 1
0.741	Intermediate Similarity	NPD5482	Discontinued
0.7403	Intermediate Similarity	NPD5658	Approved
0.7383	Intermediate Similarity	NPD7708	Approved
0.7368	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.7346	Intermediate Similarity	NPD7924	Phase 2
0.7346	Intermediate Similarity	NPD7925	Phase 2
0.7344	Intermediate Similarity	NPD7956	Approved
0.7344	Intermediate Similarity	NPD7955	Approved
0.7342	Intermediate Similarity	NPD5632	Approved
0.732	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7317	Intermediate Similarity	NPD5891	Approved
0.7314	Intermediate Similarity	NPD3259	Approved
0.7309	Intermediate Similarity	NPD1483	Discontinued
0.7303	Intermediate Similarity	NPD7586	Clinical (unspecified phase)
0.7298	Intermediate Similarity	NPD7886	Phase 2
0.7298	Intermediate Similarity	NPD7885	Phase 2
0.7295	Intermediate Similarity	NPD6962	Phase 2
0.7294	Intermediate Similarity	NPD3920	Phase 2
0.7292	Intermediate Similarity	NPD6160	Clinical (unspecified phase)
0.7283	Intermediate Similarity	NPD7859	Phase 2
0.7273	Intermediate Similarity	NPD4795	Phase 2
0.7261	Intermediate Similarity	NPD7279	Phase 2
0.7261	Intermediate Similarity	NPD7278	Phase 2
0.7248	Intermediate Similarity	NPD6530	Approved
0.7248	Intermediate Similarity	NPD6531	Approved
0.7236	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7218	Intermediate Similarity	NPD3217	Phase 2
0.7218	Intermediate Similarity	NPD4958	Clinical (unspecified phase)
0.721	Intermediate Similarity	NPD5429	Discontinued
0.7208	Intermediate Similarity	NPD5070	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD8279	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD5930	Phase 3
0.72	Intermediate Similarity	NPD7417	Discontinued
0.7189	Intermediate Similarity	NPD7729	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD7690	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD5863	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD7467	Discontinued
0.7174	Intermediate Similarity	NPD1739	Approved
0.7174	Intermediate Similarity	NPD1740	Approved
0.7172	Intermediate Similarity	NPD7268	Clinical (unspecified phase)
0.7167	Intermediate Similarity	NPD5530	Phase 1
0.7167	Intermediate Similarity	NPD7010	Phase 3
0.7166	Intermediate Similarity	NPD7558	Phase 2
0.7161	Intermediate Similarity	NPD5416	Discontinued
0.7143	Intermediate Similarity	NPD5903	Approved
0.7143	Intermediate Similarity	NPD5902	Approved
0.7131	Intermediate Similarity	NPD7225	Discontinued
0.7126	Intermediate Similarity	NPD4885	Approved
0.7125	Intermediate Similarity	NPD6568	Discontinued
0.7119	Intermediate Similarity	NPD5914	Approved
0.7119	Intermediate Similarity	NPD4997	Clinical (unspecified phase)
0.7102	Intermediate Similarity	NPD7994	Phase 2
0.7098	Intermediate Similarity	NPD8350	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD4502	Phase 2
0.7089	Intermediate Similarity	NPD6567	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.7072	Intermediate Similarity	NPD5450	Discontinued
0.707	Intermediate Similarity	NPD3809	Discontinued
0.7057	Intermediate Similarity	NPD8364	Approved
0.7057	Intermediate Similarity	NPD8363	Approved
0.7042	Intermediate Similarity	NPD8149	Discontinued
0.7036	Intermediate Similarity	NPD6517	Phase 3
0.7031	Intermediate Similarity	NPD7013	Phase 3
0.7031	Intermediate Similarity	NPD7012	Phase 3
0.7029	Intermediate Similarity	NPD3795	Approved
0.7029	Intermediate Similarity	NPD3794	Approved
0.702	Intermediate Similarity	NPD3925	Approved
0.7017	Intermediate Similarity	NPD7927	Clinical (unspecified phase)
0.7017	Intermediate Similarity	NPD5475	Discontinued
0.7009	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7004	Intermediate Similarity	NPD8365	Clinical (unspecified phase)
0.6996	Remote Similarity	NPD7414	Clinical (unspecified phase)
0.6992	Remote Similarity	NPD7676	Clinical (unspecified phase)
0.6992	Remote Similarity	NPD7675	Phase 3
0.6992	Remote Similarity	NPD7674	Phase 3
0.6991	Remote Similarity	NPD6257	Clinical (unspecified phase)
0.6987	Remote Similarity	NPD5866	Approved
0.6976	Remote Similarity	NPD5479	Discontinued
0.6976	Remote Similarity	NPD8052	Clinical (unspecified phase)
0.6972	Remote Similarity	NPD7853	Phase 2
0.6969	Remote Similarity	NPD4875	Phase 3
0.6969	Remote Similarity	NPD4876	Phase 3
0.6966	Remote Similarity	NPD6477	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD4845	Discontinued
0.6963	Remote Similarity	NPD8467	Approved
0.6963	Remote Similarity	NPD8466	Approved
0.6963	Remote Similarity	NPD8465	Approved
0.6958	Remote Similarity	NPD7571	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD6861	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD8016	Phase 3
0.6955	Remote Similarity	NPD7404	Approved
0.6955	Remote Similarity	NPD2899	Discontinued
0.6951	Remote Similarity	NPD6247	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD4996	Approved
0.6948	Remote Similarity	NPD4995	Approved
0.6943	Remote Similarity	NPD6569	Phase 2
0.6938	Remote Similarity	NPD3986	Discontinued
0.6936	Remote Similarity	NPD5513	Phase 2
0.6929	Remote Similarity	NPD7538	Clinical (unspecified phase)
0.6926	Remote Similarity	NPD8358	Approved
0.692	Remote Similarity	NPD7222	Phase 2
0.692	Remote Similarity	NPD5867	Clinical (unspecified phase)
0.6911	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD4925	Approved
0.6907	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6907	Remote Similarity	NPD3947	Discontinued
0.6903	Remote Similarity	NPD4889	Approved
0.6901	Remote Similarity	NPD5612	Discontinued
0.6901	Remote Similarity	NPD3389	Approved
0.6901	Remote Similarity	NPD3393	Approved
0.6901	Remote Similarity	NPD3394	Approved
0.6894	Remote Similarity	NPD7862	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD7922	Phase 1
0.6891	Remote Similarity	NPD2510	Approved
0.6891	Remote Similarity	NPD2509	Approved
0.6891	Remote Similarity	NPD2916	Discontinued
0.689	Remote Similarity	NPD4561	Discontinued
0.6887	Remote Similarity	NPD8100	Phase 3
0.6887	Remote Similarity	NPD6460	Clinical (unspecified phase)
0.6885	Remote Similarity	NPD5519	Discontinued
0.688	Remote Similarity	NPD1505	Phase 2
0.6877	Remote Similarity	NPD5805	Approved
0.687	Remote Similarity	NPD1954	Phase 1
0.687	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.687	Remote Similarity	NPD1856	Discontinued
0.6867	Remote Similarity	NPD5071	Phase 2
0.6865	Remote Similarity	NPD2951	Discontinued
0.6861	Remote Similarity	NPD8460	Approved
0.6861	Remote Similarity	NPD8459	Approved
0.6861	Remote Similarity	NPD8426	Approved
0.6861	Remote Similarity	NPD8425	Approved
0.686	Remote Similarity	NPD5293	Phase 2
0.6858	Remote Similarity	NPD5532	Phase 2
0.6855	Remote Similarity	NPD5640	Discontinued
0.6853	Remote Similarity	NPD5151	Clinical (unspecified phase)
0.6849	Remote Similarity	NPD1392	Approved
0.6844	Remote Similarity	NPD3354	Phase 2
0.684	Remote Similarity	NPD1038	Approved
0.684	Remote Similarity	NPD5459	Phase 2
0.684	Remote Similarity	NPD1304	Clinical (unspecified phase)
0.6838	Remote Similarity	NPD8427	Approved
0.6838	Remote Similarity	NPD8429	Approved
0.6838	Remote Similarity	NPD8428	Approved
0.6835	Remote Similarity	NPD6987	Phase 1
0.6825	Remote Similarity	NPD6625	Approved
0.6824	Remote Similarity	NPD5905	Phase 1
0.6818	Remote Similarity	NPD3945	Discontinued
0.6813	Remote Similarity	NPD7688	Phase 1
0.6811	Remote Similarity	NPD4368	Phase 2
0.681	Remote Similarity	NPD4418	Discontinued
0.681	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6808	Remote Similarity	NPD8101	Phase 3
0.6807	Remote Similarity	NPD3003	Approved
0.6806	Remote Similarity	NPD8244	Phase 2
0.6805	Remote Similarity	NPD4131	Phase 3
0.6803	Remote Similarity	NPD3326	Clinical (unspecified phase)
0.6803	Remote Similarity	NPD4989	Phase 2
0.6803	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD6995	Phase 1
0.68	Remote Similarity	NPD7555	Discontinued
0.68	Remote Similarity	NPD5559	Phase 2
0.6797	Remote Similarity	NPD4372	Phase 1
0.6795	Remote Similarity	NPD4987	Clinical (unspecified phase)
0.6794	Remote Similarity	NPD8463	Approved
0.6789	Remote Similarity	NPD8479	Phase 2
0.6783	Remote Similarity	NPD4350	Approved

Structure

CID270515 OpenBabel06191716072D 25 28 0 0 0 0 0 0 0 0999 V2000 5.8603 -1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7336 1.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8343 -1.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0312 0.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8426 2.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6782 2.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1921 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3657 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8376 1.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3615 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6736 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6812 -0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8361 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 1.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5222 -0.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8308 -1.4505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5142 2.4240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5169 -1.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8645 -0.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8367 1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8347 -0.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 23 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	640927
ChEMBL	CHEMBL446816
ZINC

Physicochemical Properties

Molecular Weight:	336.11
ALogP:	-1.1691
MLogP:	2.89
XLogP:	1.238
# Rotatable Bonds:	7
Polar Surface Area:	83.67
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	25

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